Molecule

ID:47656

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃F₃N₂
Molecular Mass
230.2295296
Exact Mass
230.10308309
Charge
0
InChI
InChI=1S/C11H13F3N2/c12-11(13,14)8-3-4-10(9(15)7-8)16-5-1-2-6-16/h3-4,7H,1-2,5-6,15H2
InChIKey
HPDFKXPVMXSXGE-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(ccc1N1CCCC1)C(F)(F)F
Isomeric Smiles
C(c1cc(c(N2CCCC2)cc1)N)(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5155447
LogD (pH = 7.4)
2.5357459
Log P
2.5360096
Molar Refractivity
58.7017
Polarizability
20.345852
Polar Surface Area
29.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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